3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-ethanoylphenyl)pyrazole-4-carboxamide

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)-N-(4-ethanoylphenyl)pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxamide Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

InChI

InChI=1S/C23H18N4O3/c1-15(28)16-7-9-18(10-8-16)25-23(29)19-14-27(12-4-11-24)26-22(19)21-13-17-5-2-3-6-20(17)30-21/h2-3,5-10,13-14H,4,12H2,1H3,(H,25,29)